[2-[[3-(ethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate

Systemtic Name: [2-[[3-(ethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate Openeye Name: [2-[3-(ethylcarbamoyl)anilino]-2-oxo-ethyl] (2R)-2-phenylsulfanylpropanoate CAS Name: (2R)-2-(phenylthio)propanoic acid [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate Traditional Name: (2R)-2-(phenylthio)propionic acid [2-[3-(ethylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C(C)SC2=CC=CC=C2

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)[C@@H](C)SC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O4S/c1-3-21-19(24)15-8-7-9-16(12-15)22-18(23)13-26-20(25)14(2)27-17-10-5-4-6-11-17/h4-12,14H,3,13H2,1-2H3,(H,21,24)(H,22,23)/t14-/m1/s1